KEGG   COMPOUND: C07101
Entry
C07101                      Compound                               

Name
2,4,5-Trichlorophenol
Formula
C6H3Cl3O
Exact mass
195.9249
Mol weight
197.4464
Structure
Reaction
Pathway
map00361  Chlorocyclohexane and chlorobenzene degradation
map01100  Metabolic pathways
map01120  Microbial metabolism in diverse environments
Enzyme
1.14.13.-       1.14.14.-
Other DBs
CAS: 95-95-4
PubChem: 9312
ChEBI: 28520
ChEMBL: CHEMBL109095
PDB-CCD: TC7[PDBj]
3DMET: B01068
NIKKAJI: J3.574B
KCF data

ATOM        10
            1   C8y C    31.6400  -16.0332
            2   C8y C    32.8505  -16.7259
            3   C8x C    30.4236  -16.7259
            4   O1a O    31.6457  -14.6306
            5   C8x C    32.8505  -18.1284
            6   X   Cl   34.0611  -16.0332
            7   C8y C    30.4236  -18.1284
            8   C8y C    31.6400  -18.8326
            9   X   Cl   29.2131  -18.8326
            10  X   Cl   31.6457  -20.2294
BOND        10
            1     1   2 2
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     2   6 1
            6     3   7 2
            7     5   8 2
            8     7   9 1
            9     8  10 1
            10    7   8 1

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